1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-4-piperidinecarboxylate IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-isonipecotate Formula: C20H20NO6S- MolecularWeight: 402.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21NO6S/c22-19(23)20(15-4-2-1-3-5-15)8-10-21(11-9-20)28(24,25)16-6-7-17-18(14-16)27-13-12-26-17/h1-7,14H,8-13H2,(H,22,23)/p-1